SCHEMBL22387705

SCHEMBL22387705

O=C(C[C@]1(O)C[C@H]2CC(c3ccnc4ccc(F)cc34)C[C@H]2C1)Nc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 20/20 0.57
TDO2 P48775 11/20 0.57
CYP2C9 P11712 5/20 0.57
CYP2C8 P10632 4/20 0.57
CYP3A4 P08684 1/20 0.56
KCNH2 Q12809 1/20 0.56
CHRNA1 P02708 1/20 0.48
CYP2C19 P33261 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22387406 1.00 IDO1 (0.57) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL22270713 1.00 IDO1 (0.57) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL22387713 0.92 IDO1 (0.48) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL22270664 0.92 IDO1 (0.48) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL22387641 0.92 IDO1 (0.48) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL22270645 0.91 IDO1 (0.57) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL22387297 0.91 IDO1 (0.57) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL22270663 0.90 IDO1 (0.59) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL22387638 0.90 IDO1 (0.59) IDO1TDO2CYP2C9CYP2C8CYP3A4
SCHEMBL22809036 0.87 IDO1 (0.64) IDO1TDO2CYP2C9CYP2C8CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200276180-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR HANGZHOU INNOGATE PHARMA CO., LTD (CN) 2020-09-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200276180-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR IDO1, HDAC1, HDAC2 IDO1 1/4885TDO2 49/4885CYP2C9 3122/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.